(2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride

C10H21ClN2O2S — CID 66545989

IUPAC(2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
SMILESC[C@H](NCCCO)C(=O)N1CCSCC1.Cl
InChIInChI=1S/C10H20N2O2S.ClH/c1-9(11-3-2-6-13)10(14)12-4-7-15-8-5-12;/h9,11,13H,2-8H2,1H3;1H/t9-;/m0./s1
InChIKeyMGNPWSMWMDOYAT-FVGYRXGTSA-N
MW268.81 g/mol
LogP0.34
Rot. Bonds5

About (2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride

(2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 66545989) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is (2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
PubChem CID66545989
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC Name(2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
SMILESC[C@H](NCCCO)C(=O)N1CCSCC1.Cl
InChIInChI=1S/C10H20N2O2S.ClH/c1-9(11-3-2-6-13)10(14)12-4-7-15-8-5-12;/h9,11,13H,2-8H2,1H3;1H/t9-;/m0./s1
InChIKeyMGNPWSMWMDOYAT-FVGYRXGTSA-N
XLogP0.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride (CID 66545989) is (2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride is C[C@H](NCCCO)C(=O)N1CCSCC1.Cl.
What is the InChIKey of (2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is MGNPWSMWMDOYAT-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H20N2O2S.ClH/c1-9(11-3-2-6-13)10(14)12-4-7-15-8-5-12;/h9,11,13H,2-8H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride?
(2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 268.81 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 66545989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).